N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C20H35NO3S — CID 140622037

IUPACN-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)C1
InChIInChI=1S/C20H35NO3S/c1-23-17-9-5-10-18(13-17)24-15-20(22)21(14-19-11-6-12-25-19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3
InChIKeyYABQHSMPRXDASI-UHFFFAOYSA-N
MW369.57 g/mol
LogP4.02
Rot. Bonds7

About N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622037) has the molecular formula C20H35NO3S and a molecular weight of 369.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622037
Molecular FormulaC20H35NO3S
Molecular Weight369.57 g/mol
Exact Mass369.23
IUPAC NameN-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)C1
InChIInChI=1S/C20H35NO3S/c1-23-17-9-5-10-18(13-17)24-15-20(22)21(14-19-11-6-12-25-19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3
InChIKeyYABQHSMPRXDASI-UHFFFAOYSA-N
XLogP4.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140622037) is N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is COC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is YABQHSMPRXDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3S/c1-23-17-9-5-10-18(13-17)24-15-20(22)21(14-19-11-6-12-25-19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 369.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).